Contributed by the Internal Combustion Engine Division of ASME for publication in the JOURNAL OF ENERGY RESOURCES TECHNOLOGY. Manuscript received April 16, 2012; final manuscript received September 1, 2012; published online May 24, 2013. Assoc. Editor: Professor Kevin M. Lyons.

This study reports a chemical kinetics soot model for combustion of engine-relevant fuels. The scheme accounts for both low- and high-temperature oxidation, considering their crucial role in engine combustion process. The mechanism is validated against several ignition delay times and laminar burning velocities data sets for single and mixtures of hydrocarbons. To assess the mechanism ability to predict soot precursors, formation of aromatic and aliphatic species with critical effects on soot formation is investigated for several laminar premixed and diffusion flames. The model includes soot particle inception, surface growth, coagulation, and aggregation based on the method of moments. The performance of the model is evaluated by predicting the amount of produced soot during heavy alkanes and aromatic species mixtures pyrolysis. The results are encouraging, proving this methodology to be a suitable tool to simulate the all-round combustion features of engine fuel surrogates by a single reaction model.

Tsang, W., 2003, “Progress in the Development of a Kinetic Data Base for Heptane Combustion,” 41st AIAA Aerospace Sciences Meeting and Exhibit, American Institute of Aeronautics and Astronautics. Paper No. 2003-0063.

Spatial variation for benzene premixed flame soot precursors (a) benzene and (b) acetylene. Symbol is the experimental data, dashed line is the previous numerical results, and the solid line the current model.

Spatial variation for n-heptane premixed flame soot precursors (a) benzene, (b) acetylene, (c) ethylene, (d) allene, and (e) propyne. Symbol is the experimental data, dashed line is the previous numerical results, and the solid line is the current model.

Spatial variation for iso-octane premixed flame soot precursors (a) benzene, (b) acetylene, (c) ethylene, (d) allene, and (e) propyne. Symbol is the experimental data, dashed line is the previous numerical results, and the solid line is the current model.

Spatial variation for n-decane premixed flame soot precursors (a) benzene, (b) acetylene, (c) ethylene, and (d) allene. Symbol is the experimental data, dashed is line the previous numerical results, and the solid line is the current model.

Spatial variation for n-heptane diffusion flame soot precursors: (a) benzene, (b) acetylene, (c) ethylene, (d) allene, and (e) propyne. Symbol is the experimental data, dashed line is the previous numerical results, and the solid line is the current model.

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